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Compile Data Set for Download or QSAR

Found 715 hits with Last Name = 'vistoli' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004767
PNG
(CHEMBL2312536)
Show SMILES COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m0/s1
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0.309n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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0.372n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50198338
PNG
(CHEMBL3938038)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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0.389n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004768
PNG
(CHEMBL2312538)
Show SMILES C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m0/s1
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0.398n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004766
PNG
(CHEMBL2312226)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259021
PNG
(CHEMBL4067083)
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0.562n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004769
PNG
(CHEMBL2312537)
Show SMILES C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
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0.589n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412783
PNG
(CHEMBL493486)
Show SMILES COc1ccccc1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m1/s1
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0.603n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50200566
PNG
(CHEMBL3902626)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
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0.603n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259024
PNG
(CHEMBL4071929)
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0.631n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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0.661n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259000
PNG
(CHEMBL4082195)
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0.692n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50107696
PNG
(1,9-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31|
Show InChI InChI=1S/C25H38N6O2S2/c1-30-14-10-12-20(18-30)22-24(28-34-26-22)32-16-8-6-4-3-5-7-9-17-33-25-23(27-35-29-25)21-13-11-15-31(2)19-21/h12-13H,3-11,14-19H2,1-2H3
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0.776n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259023
PNG
(CHEMBL4075507)
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0.794n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50030223
PNG
(CHEMBL3354068)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C32H47N5O2S/c1-35-19-9-13-28(25-35)31-32(34-40-33-31)39-24-8-4-2-3-5-11-26-17-22-36(23-18-26)20-10-21-37-29-14-7-6-12-27(29)15-16-30(37)38/h6-7,12-14,26H,2-5,8-11,15-25H2,1H3
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0.794n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50030223
PNG
(CHEMBL3354068)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C32H47N5O2S/c1-35-19-9-13-28(25-35)31-32(34-40-33-31)39-24-8-4-2-3-5-11-26-17-22-36(23-18-26)20-10-21-37-29-14-7-6-12-27(29)15-16-30(37)38/h6-7,12-14,26H,2-5,8-11,15-25H2,1H3
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0.891n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259020
PNG
(CHEMBL4091168)
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0.891n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030223
PNG
(CHEMBL3354068)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C32H47N5O2S/c1-35-19-9-13-28(25-35)31-32(34-40-33-31)39-24-8-4-2-3-5-11-26-17-22-36(23-18-26)20-10-21-37-29-14-7-6-12-27(29)15-16-30(37)38/h6-7,12-14,26H,2-5,8-11,15-25H2,1H3
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0.912n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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1n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50200441
PNG
(CHEMBL3930616)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1
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1.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259022
PNG
(CHEMBL4070363)
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201790
PNG
(CHEMBL3917716)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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1.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201789
PNG
(CHEMBL3946843)
Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201791
PNG
(CHEMBL3920110)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50200441
PNG
(CHEMBL3930616)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50030223
PNG
(CHEMBL3354068)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C32H47N5O2S/c1-35-19-9-13-28(25-35)31-32(34-40-33-31)39-24-8-4-2-3-5-11-26-17-22-36(23-18-26)20-10-21-37-29-14-7-6-12-27(29)15-16-30(37)38/h6-7,12-14,26H,2-5,8-11,15-25H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004772
PNG
(CHEMBL2312225)
Show SMILES COc1cccc(OC)c1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412784
PNG
(CHEMBL493285)
Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201790
PNG
(CHEMBL3917716)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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1.5n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50107696
PNG
(1,9-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31|
Show InChI InChI=1S/C25H38N6O2S2/c1-30-14-10-12-20(18-30)22-24(28-34-26-22)32-16-8-6-4-3-5-7-9-17-33-25-23(27-35-29-25)21-13-11-15-31(2)19-21/h12-13H,3-11,14-19H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50198338
PNG
(CHEMBL3938038)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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1.70n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201791
PNG
(CHEMBL3920110)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
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2n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50200566
PNG
(CHEMBL3902626)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
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2.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50197059
PNG
(CHEMBL3976144)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
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2.20n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50030223
PNG
(CHEMBL3354068)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C32H47N5O2S/c1-35-19-9-13-28(25-35)31-32(34-40-33-31)39-24-8-4-2-3-5-11-26-17-22-36(23-18-26)20-10-21-37-29-14-7-6-12-27(29)15-16-30(37)38/h6-7,12-14,26H,2-5,8-11,15-25H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50197548
PNG
(CHEMBL3947302)
Show SMILES CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
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2.60n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201789
PNG
(CHEMBL3946843)
Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1
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2.80n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50107696
PNG
(1,9-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31|
Show InChI InChI=1S/C25H38N6O2S2/c1-30-14-10-12-20(18-30)22-24(28-34-26-22)32-16-8-6-4-3-5-7-9-17-33-25-23(27-35-29-25)21-13-11-15-31(2)19-21/h12-13H,3-11,14-19H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50197548
PNG
(CHEMBL3947302)
Show SMILES CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
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3n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50197059
PNG
(CHEMBL3976144)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
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3.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50107696
PNG
(1,9-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31|
Show InChI InChI=1S/C25H38N6O2S2/c1-30-14-10-12-20(18-30)22-24(28-34-26-22)32-16-8-6-4-3-5-7-9-17-33-25-23(27-35-29-25)21-13-11-15-31(2)19-21/h12-13H,3-11,14-19H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412778
PNG
(CHEMBL521665)
Show SMILES COc1ccccc1OCCNC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
Show InChI InChI=1S/C20H25NO4/c1-22-18-9-5-6-10-19(18)23-12-11-21-13-17-14-25-20(15-24-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL




Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
More data for this
Ligand-Target Pair
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